Multicomponent density-functional theory for electrons and nuclei

T. Kreibich*, E. K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

208 Scopus citations

Abstract

A combined system of electrons and nuclei is investigated using a multicomponent density-functional theory. The functionals for the electron-nuclear correlation energy are approximated. The theory of explicit calculations for the H2 molecular ion is illustrated.

Original languageAmerican English
Pages (from-to)2984-2987
Number of pages4
JournalPhysical Review Letters
Volume86
Issue number14
DOIs
StatePublished - 2 Apr 2001
Externally publishedYes

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